4-(tert-butoxy)-4-oxobutanoic acid

4-(tert-butoxy)-4-oxobutanoic acid

CAS: 15026-17-2

Formula: C8H14O4

SMILES: CC(C)(C)OC(=O)CCC(O)=O

IUPAC: 4-(tert-butoxy)-4-oxobutanoic acid

InChI: InChI=1S/C8H14O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10)

Composition: C (55.16%), H (8.10%), O (36.74%)

Molar Mass: 174.196

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	174.089208931
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PCOCFIOYWNCGBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.11
Topological Polar Surface Area	63.6
Polarizability	16.83
Ring Count	0
Rotatable Bond Count	5

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